sodium;tert-butyl N-[(2R)-1-[[6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide);6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-4-methoxy-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylate;hydroxide;hydrochloride

C116H134BrClF5N14NaO19 — CID 162107767

IUPACsodium;tert-butyl N-[(2R)-1-[[6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide);6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-4-methoxy-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylate;hydroxide;hydrochloride
SMILESC.C.CCCC[C@H](CNC(=O)c1cc2c(OC)cc(-c3ccc(F)cc3)cc2[nH]1)NC(=O)OC(C)(C)C.CO.COC(=O)c1cc2c(OC)cc(-c3ccc(F)cc3)cc2[nH]1.COC(=O)c1cc2c(OC)cc(Br)cc2[nH]1.COc1cc(-c2ccc(F)cc2)cc2[nH]c(C(=O)NC[C@H](N)CCCN)cc12.COc1cc(-c2ccc(F)cc2)cc2[nH]c(C(=O)NC[C@H](N)CCCN)cc12.COc1cc(-c2ccc(F)cc2)cc2[nH]c(C(=O)O)cc12.Cl.[Na+].[OH-]
InChIInChI=1S/C27H34FN3O4.2C21H25FN4O2.C17H14FNO3.C16H12FNO3.C11H10BrNO3.CH4O.2CH4.ClH.Na.H2O/c1-6-7-8-20(30-26(33)35-27(2,3)4)16-29-25(32)23-15-21-22(31-23)13-18(14-24(21)34-5)17-9-11-19(28)12-10-17;2*1-28-20-10-14(13-4-6-15(22)7-5-13)9-18-17(20)11-19(26-18)21(27)25-12-16(24)3-2-8-23;1-21-16-8-11(10-3-5-12(18)6-4-10)7-14-13(16)9-15(19-14)17(20)22-2;1-21-15-7-10(9-2-4-11(17)5-3-9)6-13-12(15)8-14(18-13)16(19)20;1-15-10-4-6(12)3-8-7(10)5-9(13-8)11(14)16-2;1-2;;;;;/h9-15,20,31H,6-8,16H2,1-5H3,(H,29,32)(H,30,33);2*4-7,9-11,16,26H,2-3,8,12,23-24H2,1H3,(H,25,27);3-9,19H,1-2H3;2-8,18H,1H3,(H,19,20);3-5,13H,1-2H3;2H,1H3;2*1H4;1H;;1H2/q;;;;;;;;;;+1;/p-1/t20-;2*16-;;;;;;;;;/m111........./s1
InChIKeyNYPQMTVYTQBQKN-VHVCGIFJSA-M
MW2261.76 g/mol
LogP19.66
Rot. Bonds33

About sodium;tert-butyl N-[(2R)-1-[[6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide);6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-4-methoxy-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylate;hydroxide;hydrochloride

sodium;tert-butyl N-[(2R)-1-[[6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide);6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-4-methoxy-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylate;hydroxide;hydrochloride (PubChem CID 162107767) has the molecular formula C116H134BrClF5N14NaO19 and a molecular weight of 2261.76 g/mol. Its IUPAC name is sodium;tert-butyl N-[(2R)-1-[[6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide);6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-4-methoxy-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylate;hydroxide;hydrochloride.

Molecular Properties

Compound Namesodium;tert-butyl N-[(2R)-1-[[6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide);6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-4-methoxy-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylate;hydroxide;hydrochloride
PubChem CID162107767
Molecular FormulaC116H134BrClF5N14NaO19
Molecular Weight2261.76 g/mol
Exact Mass2258.86
IUPAC Namesodium;tert-butyl N-[(2R)-1-[[6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide);6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-4-methoxy-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylate;hydroxide;hydrochloride
SMILESC.C.CCCC[C@H](CNC(=O)c1cc2c(OC)cc(-c3ccc(F)cc3)cc2[nH]1)NC(=O)OC(C)(C)C.CO.COC(=O)c1cc2c(OC)cc(-c3ccc(F)cc3)cc2[nH]1.COC(=O)c1cc2c(OC)cc(Br)cc2[nH]1.COc1cc(-c2ccc(F)cc2)cc2[nH]c(C(=O)NC[C@H](N)CCCN)cc12.COc1cc(-c2ccc(F)cc2)cc2[nH]c(C(=O)NC[C@H](N)CCCN)cc12.COc1cc(-c2ccc(F)cc2)cc2[nH]c(C(=O)O)cc12.Cl.[Na+].[OH-]
InChIInChI=1S/C27H34FN3O4.2C21H25FN4O2.C17H14FNO3.C16H12FNO3.C11H10BrNO3.CH4O.2CH4.ClH.Na.H2O/c1-6-7-8-20(30-26(33)35-27(2,3)4)16-29-25(32)23-15-21-22(31-23)13-18(14-24(21)34-5)17-9-11-19(28)12-10-17;2*1-28-20-10-14(13-4-6-15(22)7-5-13)9-18-17(20)11-19(26-18)21(27)25-12-16(24)3-2-8-23;1-21-16-8-11(10-3-5-12(18)6-4-10)7-14-13(16)9-15(19-14)17(20)22-2;1-21-15-7-10(9-2-4-11(17)5-3-9)6-13-12(15)8-14(18-13)16(19)20;1-15-10-4-6(12)3-8-7(10)5-9(13-8)11(14)16-2;1-2;;;;;/h9-15,20,31H,6-8,16H2,1-5H3,(H,29,32)(H,30,33);2*4-7,9-11,16,26H,2-3,8,12,23-24H2,1H3,(H,25,27);3-9,19H,1-2H3;2-8,18H,1H3,(H,19,20);3-5,13H,1-2H3;2H,1H3;2*1H4;1H;;1H2/q;;;;;;;;;;+1;/p-1/t20-;2*16-;;;;;;;;;/m111........./s1
InChIKeyNYPQMTVYTQBQKN-VHVCGIFJSA-M
XLogP19.66
TPSA519.96 Ų
H-Bond Donors16
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002261.76
LogP ≤ 519.66
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze sodium;tert-butyl N-[(2R)-1-[[6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide);6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-4-methoxy-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylate;hydroxide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3S,6S)-2,2-difluoro-6-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-5-azaspiro[2.4]heptane-5-carboxylate;(3S,6S)-2,2-difluoro-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(3S,6S)-2,2-difluorospiro[2.4]heptane-6-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(1S)-2-oxocyclohexyl]propanoate
CID 163703185
(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4-(trifluoromethoxy)-1H-indole-2-carboxylic acid
CID 163760242
tert-butyl (2S,4S)-4-methoxy-2-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate;4-methoxy-1H-indole-2-carboxylic acid;(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2S,4S)-4-methoxy-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2S,4S)-4-methoxy-4-(trifluoromethyl)pyrrolidine-2-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydrochloride
CID 163760319
(2S)-2-[(3-bromo-1H-indole-2-carbonyl)amino]-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]propanoic acid;(2S)-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]-2-[(3-fluoro-1H-indole-2-carbonyl)amino]propanoic acid;(2S)-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]-2-[[3-(hydroxymethyl)-1H-indole-2-carbonyl]amino]propanoic acid;(2S)-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]-2-[(3-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 163939434
tert-butyl 2,2-difluoro-7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;2,2-difluoro-6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-7-carboxylic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[(2,2-difluoro-6-azaspiro[3.4]octane-7-carbonyl)amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2,2-difluoro-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydrochloride
CID 167642615
CID 157081339
CID 157081339
[4-(2-fluorophenoxy)-1H-indol-2-yl]methanol;(2-methoxycarbonyl-1H-indol-4-yl)boronic acid;methyl 4-bromo-1H-indole-2-carboxylate;methyl 4-(2-fluorophenoxy)-1H-indole-2-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate
CID 157181580
sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-(4-hydroxyphenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 6-(4-fluorophenyl)-3-(4-hydroxyphenyl)indole-1,2-dicarboxylate;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-(4-hydroxyphenyl)-1H-indole-2-carboxamide;6-(4-fluorophenyl)-3-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid;(4-hydroxyphenyl)boronic acid;methane;hydroxide;hydrochloride
CID 157195769
sodium;6-bromo-1H-indole-2-carboxylic acid;tert-butyl N-[(6S)-7-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-2,6-dimethylheptan-3-yl]carbamate;N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-1H-indole-2-carboxylate;palladium;thionyl dichloride;tetrakis(triphenylphosphane);hydroxide;hydrochloride
CID 157586862
(2S,4S)-4-cyclohexyl-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid;9H-fluoren-9-ylmethyl (2S,4S)-4-cyclohexyl-2-[[(2S)-1-methoxy-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S,4S)-4-cyclohexyl-1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidine-2-carbonyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S,4S)-4-cyclohexylpyrrolidine-2-carbonyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 157694717
(2R)-N-[1-amino-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;tert-butyl (2S)-2-amino-4-methylpentanoate;tert-butyl (2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoate;4-methoxy-1H-indole-2-carboxylic acid;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoic acid;methyl 2-amino-3-(2-oxo-1H-quinolin-4-yl)propanoate;methyl 2-[[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate;hydrochloride
CID 157852998
CID 157855516
CID 157855516

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl N-[(2R)-1-[[6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide);6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-4-methoxy-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylate;hydroxide;hydrochloride?
The IUPAC name of sodium;tert-butyl N-[(2R)-1-[[6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide);6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-4-methoxy-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylate;hydroxide;hydrochloride (CID 162107767) is sodium;tert-butyl N-[(2R)-1-[[6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide);6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-4-methoxy-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylate;hydroxide;hydrochloride.
What is the SMILES notation for sodium;tert-butyl N-[(2R)-1-[[6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide);6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-4-methoxy-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylate;hydroxide;hydrochloride?
The canonical SMILES for sodium;tert-butyl N-[(2R)-1-[[6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide);6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-4-methoxy-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylate;hydroxide;hydrochloride is C.C.CCCC[C@H](CNC(=O)c1cc2c(OC)cc(-c3ccc(F)cc3)cc2[nH]1)NC(=O)OC(C)(C)C.CO.COC(=O)c1cc2c(OC)cc(-c3ccc(F)cc3)cc2[nH]1.COC(=O)c1cc2c(OC)cc(Br)cc2[nH]1.COc1cc(-c2ccc(F)cc2)cc2[nH]c(C(=O)NC[C@H](N)CCCN)cc12.COc1cc(-c2ccc(F)cc2)cc2[nH]c(C(=O)NC[C@H](N)CCCN)cc12.COc1cc(-c2ccc(F)cc2)cc2[nH]c(C(=O)O)cc12.Cl.[Na+].[OH-].
What is the InChIKey of sodium;tert-butyl N-[(2R)-1-[[6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide);6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-4-methoxy-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylate;hydroxide;hydrochloride?
The InChIKey is NYPQMTVYTQBQKN-VHVCGIFJSA-M. The full InChI is InChI=1S/C27H34FN3O4.2C21H25FN4O2.C17H14FNO3.C16H12FNO3.C11H10BrNO3.CH4O.2CH4.ClH.Na.H2O/c1-6-7-8-20(30-26(33)35-27(2,3)4)16-29-25(32)23-15-21-22(31-23)13-18(14-24(21)34-5)17-9-11-19(28)12-10-17;2*1-28-20-10-14(13-4-6-15(22)7-5-13)9-18-17(20)11-19(26-18)21(27)25-12-16(24)3-2-8-23;1-21-16-8-11(10-3-5-12(18)6-4-10)7-14-13(16)9-15(19-14)17(20)22-2;1-21-15-7-10(9-2-4-11(17)5-3-9)6-13-12(15)8-14(18-13)16(19)20;1-15-10-4-6(12)3-8-7(10)5-9(13-8)11(14)16-2;1-2;;;;;/h9-15,20,31H,6-8,16H2,1-5H3,(H,29,32)(H,30,33);2*4-7,9-11,16,26H,2-3,8,12,23-24H2,1H3,(H,25,27);3-9,19H,1-2H3;2-8,18H,1H3,(H,19,20);3-5,13H,1-2H3;2H,1H3;2*1H4;1H;;1H2/q;;;;;;;;;;+1;/p-1/t20-;2*16-;;;;;;;;;/m111........./s1.
What are the key properties of sodium;tert-butyl N-[(2R)-1-[[6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide);6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-4-methoxy-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylate;hydroxide;hydrochloride?
sodium;tert-butyl N-[(2R)-1-[[6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide);6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-4-methoxy-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylate;hydroxide;hydrochloride has a molecular weight of 2261.76 g/mol, XLogP of 19.66, 33 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tert-butyl N-[(2R)-1-[[6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide);6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-4-methoxy-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxylate;hydroxide;hydrochloride is sourced from PubChem (CID 162107767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).